(3-fluorophenyl)(phenyl)methanamine

• ChemBase ID: 236782
• Molecular Formular: C13H12FN
• Molecular Mass: 201.2394832
• Monoisotopic Mass: 201.09537761
• SMILES: c1(C(c2ccccc2)N)cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C(c1ccccc1)N
• InChI: InChI=1S/C13H12FN/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13H,15H2
• InChIKey: CGZRUHXQDYRPLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluorophenyl)(phenyl)methanamine
• IUPAC Traditional name: (3-fluorophenyl)(phenyl)methanamine
• Synonyms: (3-fluorophenyl)(phenyl)methanamine

Database IDs

• MDL Number: MFCD09807591
• PubChem SID: 164292692
• PubChem CID: 15326985

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.15075476
• LogD (pH = 7.4): 1.5338693
• Log P: 3.0259564
• Molar Refractivity: 59.0306 cm^3
• Polarizability: 22.941336 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.585

Product Information

• Purity: 95%